1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine

C25H37N7O2 — CID 143495974

IUPAC1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine
SMILESCN1CCC(/C(Cc2cccc(N)n2)=N\O)CC1.Nc1cc(CN2CCC(C=O)CC2)ccn1
InChIInChI=1S/C13H20N4O.C12H17N3O/c1-17-7-5-10(6-8-17)12(16-18)9-11-3-2-4-13(14)15-11;13-12-7-11(1-4-14-12)8-15-5-2-10(9-16)3-6-15/h2-4,10,18H,5-9H2,1H3,(H2,14,15);1,4,7,9-10H,2-3,5-6,8H2,(H2,13,14)/b16-12-;
InChIKeyILTXLSMWCDQEJY-PXJKFVASSA-N
MW467.62 g/mol
LogP2.45
Rot. Bonds6

About 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine

1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine (PubChem CID 143495974) has the molecular formula C25H37N7O2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine
PubChem CID143495974
Molecular FormulaC25H37N7O2
Molecular Weight467.62 g/mol
Exact Mass467.30
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine
SMILESCN1CCC(/C(Cc2cccc(N)n2)=N\O)CC1.Nc1cc(CN2CCC(C=O)CC2)ccn1
InChIInChI=1S/C13H20N4O.C12H17N3O/c1-17-7-5-10(6-8-17)12(16-18)9-11-3-2-4-13(14)15-11;13-12-7-11(1-4-14-12)8-15-5-2-10(9-16)3-6-15/h2-4,10,18H,5-9H2,1H3,(H2,14,15);1,4,7,9-10H,2-3,5-6,8H2,(H2,13,14)/b16-12-;
InChIKeyILTXLSMWCDQEJY-PXJKFVASSA-N
XLogP2.45
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine with MolForge

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Related Compounds

[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
CID 59275036
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 134818199
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2-methoxy-1-pyridin-2-ylethenyl)piperidin-1-yl]methanone
CID 71068075
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;dihydrate;dihydrochloride
CID 163210129
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-4-(cyclohexylamino)piperidine-4-carboxamide;ethane
CID 143382692
1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten
CID 145470600
6-[C-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methoxycarbonimidoyl]-1H-pyridin-2-one
CID 59275109

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine (CID 143495974) is 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine is CN1CCC(/C(Cc2cccc(N)n2)=N\O)CC1.Nc1cc(CN2CCC(C=O)CC2)ccn1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine?
The InChIKey is ILTXLSMWCDQEJY-PXJKFVASSA-N. The full InChI is InChI=1S/C13H20N4O.C12H17N3O/c1-17-7-5-10(6-8-17)12(16-18)9-11-3-2-4-13(14)15-11;13-12-7-11(1-4-14-12)8-15-5-2-10(9-16)3-6-15/h2-4,10,18H,5-9H2,1H3,(H2,14,15);1,4,7,9-10H,2-3,5-6,8H2,(H2,13,14)/b16-12-;.
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine?
1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine has a molecular weight of 467.62 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 143495974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).