4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride

C14H24Cl2N4O — CID 119399617

IUPAC4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O.2ClH/c15-7-3-4-14(19)17-11-12-5-6-13(16-10-12)18-8-1-2-9-18;;/h5-6,10H,1-4,7-9,11,15H2,(H,17,19);2*1H
InChIKeyZEROCARKQRMSON-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.88
Rot. Bonds6

About 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride

4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride (PubChem CID 119399617) has the molecular formula C14H24Cl2N4O and a molecular weight of 335.28 g/mol. Its IUPAC name is 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
PubChem CID119399617
Molecular FormulaC14H24Cl2N4O
Molecular Weight335.28 g/mol
Exact Mass334.13
IUPAC Name4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O.2ClH/c15-7-3-4-14(19)17-11-12-5-6-13(16-10-12)18-8-1-2-9-18;;/h5-6,10H,1-4,7-9,11,15H2,(H,17,19);2*1H
InChIKeyZEROCARKQRMSON-UHFFFAOYSA-N
XLogP1.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
4-(4-acetylphenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38530939
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
N-[3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]-4-bromobenzamide
CID 55845967

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride (CID 119399617) is 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
The InChIKey is ZEROCARKQRMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.2ClH/c15-7-3-4-14(19)17-11-12-5-6-13(16-10-12)18-8-1-2-9-18;;/h5-6,10H,1-4,7-9,11,15H2,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride?
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119399617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).