2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride

C16H28Cl2N4O — CID 119841377

IUPAC2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCc1ccnc(N2CCCCC2)c1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(11-17-2)16(21)19-12-14-6-7-18-15(10-14)20-8-4-3-5-9-20;;/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,19,21);2*1H
InChIKeyIUSGELJGOBGRLD-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride (PubChem CID 119841377) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
PubChem CID119841377
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC Name2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCc1ccnc(N2CCCCC2)c1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(11-17-2)16(21)19-12-14-6-7-18-15(10-14)20-8-4-3-5-9-20;;/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,19,21);2*1H
InChIKeyIUSGELJGOBGRLD-UHFFFAOYSA-N
XLogP2.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111761883
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride (CID 119841377) is 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride is CNCC(C)C(=O)NCc1ccnc(N2CCCCC2)c1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
The InChIKey is IUSGELJGOBGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-13(11-17-2)16(21)19-12-14-6-7-18-15(10-14)20-8-4-3-5-9-20;;/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119841377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).