N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C14H22N4O — CID 79160812

IUPACN-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESNCCCN(Cc1cccnc1)C(=O)N1CCCC1
InChIInChI=1S/C14H22N4O/c15-6-4-10-18(12-13-5-3-7-16-11-13)14(19)17-8-1-2-9-17/h3,5,7,11H,1-2,4,6,8-10,12,15H2
InChIKeyCJXTXEYHOVABKV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.45
Rot. Bonds5

About N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 79160812) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID79160812
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESNCCCN(Cc1cccnc1)C(=O)N1CCCC1
InChIInChI=1S/C14H22N4O/c15-6-4-10-18(12-13-5-3-7-16-11-13)14(19)17-8-1-2-9-17/h3,5,7,11H,1-2,4,6,8-10,12,15H2
InChIKeyCJXTXEYHOVABKV-UHFFFAOYSA-N
XLogP1.45
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 107000128
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide
CID 23736360
3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 166290413
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 142251657

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 79160812) is N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is NCCCN(Cc1cccnc1)C(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CJXTXEYHOVABKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-6-4-10-18(12-13-5-3-7-16-11-13)14(19)17-8-1-2-9-17/h3,5,7,11H,1-2,4,6,8-10,12,15H2.
What are the key properties of N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79160812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).