1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C14H22N4O — CID 62470053

IUPAC1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncccc1CN1CCCC1C(N)=O
InChIInChI=1S/C14H22N4O/c1-2-7-16-14-11(5-3-8-17-14)10-18-9-4-6-12(18)13(15)19/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyDFDNOKVSKSTDMW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.35
Rot. Bonds6

About 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 62470053) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID62470053
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncccc1CN1CCCC1C(N)=O
InChIInChI=1S/C14H22N4O/c1-2-7-16-14-11(5-3-8-17-14)10-18-9-4-6-12(18)13(15)19/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyDFDNOKVSKSTDMW-UHFFFAOYSA-N
XLogP1.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471191
4-[[2-(propylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095743
4-[[2-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095840
methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62470832
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
1-[[4-(propylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
CID 79245250
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 155904475
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55075402
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 62470053) is 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is CCCNc1ncccc1CN1CCCC1C(N)=O.
What is the InChIKey of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DFDNOKVSKSTDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-16-14-11(5-3-8-17-14)10-18-9-4-6-12(18)13(15)19/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 62470053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).