2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine

C16H19ClN4 — CID 130558164

IUPAC2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
SMILESNc1cnc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C16H19ClN4/c17-15-8-13(18)9-19-16(15)20-14-6-7-21(11-14)10-12-4-2-1-3-5-12/h1-5,8-9,14H,6-7,10-11,18H2,(H,19,20)
InChIKeyVBNQXDHRSODKGM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.00
Rot. Bonds4

About 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine

2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine (PubChem CID 130558164) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
PubChem CID130558164
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
SMILESNc1cnc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C16H19ClN4/c17-15-8-13(18)9-19-16(15)20-14-6-7-21(11-14)10-12-4-2-1-3-5-12/h1-5,8-9,14H,6-7,10-11,18H2,(H,19,20)
InChIKeyVBNQXDHRSODKGM-UHFFFAOYSA-N
XLogP3.00
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68960130
3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91171302
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
CID 146421693
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124784
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine?
The IUPAC name of 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine (CID 130558164) is 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine is Nc1cnc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine?
The InChIKey is VBNQXDHRSODKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-15-8-13(18)9-19-16(15)20-14-6-7-21(11-14)10-12-4-2-1-3-5-12/h1-5,8-9,14H,6-7,10-11,18H2,(H,19,20).
What are the key properties of 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine?
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine has a molecular weight of 302.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine is sourced from PubChem (CID 130558164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).