[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol

C15H17ClN4O — CID 154741640

IUPAC[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(NC2CCN(c3ncccc3Cl)C2)c1
InChIInChI=1S/C15H17ClN4O/c16-13-2-1-5-18-15(13)20-7-4-12(9-20)19-14-8-11(10-21)3-6-17-14/h1-3,5-6,8,12,21H,4,7,9-10H2,(H,17,19)
InChIKeyGOSLLCWPSZZRHP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.31
Rot. Bonds4

About [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol

[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol (PubChem CID 154741640) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
PubChem CID154741640
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(NC2CCN(c3ncccc3Cl)C2)c1
InChIInChI=1S/C15H17ClN4O/c16-13-2-1-5-18-15(13)20-7-4-12(9-20)19-14-8-11(10-21)3-6-17-14/h1-3,5-6,8,12,21H,4,7,9-10H2,(H,17,19)
InChIKeyGOSLLCWPSZZRHP-UHFFFAOYSA-N
XLogP2.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
CID 154794198
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 124888509
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133493496
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
3-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoic acid
CID 134493185
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184363
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
4-[3-[[(1R,2R)-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 71233430

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol (CID 154741640) is [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol is OCc1ccnc(NC2CCN(c3ncccc3Cl)C2)c1.
What is the InChIKey of [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol?
The InChIKey is GOSLLCWPSZZRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-13-2-1-5-18-15(13)20-7-4-12(9-20)19-14-8-11(10-21)3-6-17-14/h1-3,5-6,8,12,21H,4,7,9-10H2,(H,17,19).
What are the key properties of [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol?
[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol has a molecular weight of 304.78 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 154741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).