3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile

C13H17ClN4O — CID 107061419

IUPAC3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)CC2CCCN2)c1Cl
InChIInChI=1S/C13H17ClN4O/c14-12-10(8-15)3-5-17-13(12)18(6-7-19)9-11-2-1-4-16-11/h3,5,11,16,19H,1-2,4,6-7,9H2
InChIKeyZJMRUNUMJWMUMU-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.16
Rot. Bonds5

About 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile

3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 107061419) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID107061419
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)CC2CCCN2)c1Cl
InChIInChI=1S/C13H17ClN4O/c14-12-10(8-15)3-5-17-13(12)18(6-7-19)9-11-2-1-4-16-11/h3,5,11,16,19H,1-2,4,6-7,9H2
InChIKeyZJMRUNUMJWMUMU-UHFFFAOYSA-N
XLogP1.16
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106621403
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
CID 106621399
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106621438
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile (CID 107061419) is 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(N(CCO)CC2CCCN2)c1Cl.
What is the InChIKey of 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is ZJMRUNUMJWMUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-12-10(8-15)3-5-17-13(12)18(6-7-19)9-11-2-1-4-16-11/h3,5,11,16,19H,1-2,4,6-7,9H2.
What are the key properties of 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 280.76 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107061419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).