6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile

C17H18N4 — CID 18133059

IUPAC6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C17H18N4/c18-10-15-6-7-17(19-11-15)20-16-8-9-21(13-16)12-14-4-2-1-3-5-14/h1-7,11,16H,8-9,12-13H2,(H,19,20)
InChIKeyDDUGFMANZMWUPQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.64
Rot. Bonds4

About 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile

6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 18133059) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID18133059
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C17H18N4/c18-10-15-6-7-17(19-11-15)20-16-8-9-21(13-16)12-14-4-2-1-3-5-14/h1-7,11,16H,8-9,12-13H2,(H,19,20)
InChIKeyDDUGFMANZMWUPQ-UHFFFAOYSA-N
XLogP2.64
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 130167064
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
CID 35901850
6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224
(E)-3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636921
3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 73060716
5-nitro-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyridin-2-amine
CID 56806094
(3R)-N-(1-benzylpiperidin-4-yl)-4-(5-cyanopyrimidin-2-yl)-3-methylpiperazine-1-carboxamide
CID 166704402
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95719332
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile (CID 18133059) is 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCN(Cc3ccccc3)C2)nc1.
What is the InChIKey of 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is DDUGFMANZMWUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-10-15-6-7-17(19-11-15)20-16-8-9-21(13-16)12-14-4-2-1-3-5-14/h1-7,11,16H,8-9,12-13H2,(H,19,20).
What are the key properties of 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 18133059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).