N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid

C18H26N6O3 — CID 154913539

IUPACN-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid
SMILESCn1nccc1C(=O)NCC1CCN(Cc2cccnc2N)CC1.O=CO
InChIInChI=1S/C17H24N6O.CH2O2/c1-22-15(4-8-21-22)17(24)20-11-13-5-9-23(10-6-13)12-14-3-2-7-19-16(14)18;2-1-3/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,19)(H,20,24);1H,(H,2,3)
InChIKeyDDWQZJJTMUNZHX-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.74
Rot. Bonds5

About N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid

N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid (PubChem CID 154913539) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid
PubChem CID154913539
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid
SMILESCn1nccc1C(=O)NCC1CCN(Cc2cccnc2N)CC1.O=CO
InChIInChI=1S/C17H24N6O.CH2O2/c1-22-15(4-8-21-22)17(24)20-11-13-5-9-23(10-6-13)12-14-3-2-7-19-16(14)18;2-1-3/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,19)(H,20,24);1H,(H,2,3)
InChIKeyDDWQZJJTMUNZHX-UHFFFAOYSA-N
XLogP0.74
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)pyrazole-3-carboxamide
CID 129006386
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
3-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 56905480
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736075
(2S)-4-[(2-amino-3-pyridinyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 124751138
2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 139805149
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid?
The IUPAC name of N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid (CID 154913539) is N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid.
What is the SMILES notation for N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid?
The canonical SMILES for N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid is Cn1nccc1C(=O)NCC1CCN(Cc2cccnc2N)CC1.O=CO.
What is the InChIKey of N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid?
The InChIKey is DDWQZJJTMUNZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O.CH2O2/c1-22-15(4-8-21-22)17(24)20-11-13-5-9-23(10-6-13)12-14-3-2-7-19-16(14)18;2-1-3/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,19)(H,20,24);1H,(H,2,3).
What are the key properties of N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid?
N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid has a molecular weight of 374.45 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid is sourced from PubChem (CID 154913539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).