6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine

C22H29ClN4O — CID 58127422

IUPAC6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESClc1cnc(CC[C@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1
InChIInChI=1S/C22H29ClN4O/c23-20-15-25-18(7-6-17-3-2-10-24-17)13-19(20)21-4-1-5-22(27-21)26-14-16-8-11-28-12-9-16/h1,4-5,13,15-17,24H,2-3,6-12,14H2,(H,26,27)/t17-/m1/s1
InChIKeyMWLTXKXDKGQQQL-QGZVFWFLSA-N
MW400.95 g/mol
LogP4.32
Rot. Bonds7

About 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine

6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 58127422) has the molecular formula C22H29ClN4O and a molecular weight of 400.95 g/mol. Its IUPAC name is 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID58127422
Molecular FormulaC22H29ClN4O
Molecular Weight400.95 g/mol
Exact Mass400.20
IUPAC Name6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESClc1cnc(CC[C@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1
InChIInChI=1S/C22H29ClN4O/c23-20-15-25-18(7-6-17-3-2-10-24-17)13-19(20)21-4-1-5-22(27-21)26-14-16-8-11-28-12-9-16/h1,4-5,13,15-17,24H,2-3,6-12,14H2,(H,26,27)/t17-/m1/s1
InChIKeyMWLTXKXDKGQQQL-QGZVFWFLSA-N
XLogP4.32
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]ethanone
CID 58284809
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-pyridin-3-ylethanone
CID 58284797
6-[5-chloro-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127168
(2R)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 58127082
1-[(3S)-1-acetylpiperidin-3-yl]-2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]ethanone
CID 58284652
4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127148
(3S,6R)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 123426883
(2S)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 70794028
6-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 53410289
4-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 66937205
5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 70795260

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 58127422) is 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine is Clc1cnc(CC[C@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1.
What is the InChIKey of 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is MWLTXKXDKGQQQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29ClN4O/c23-20-15-25-18(7-6-17-3-2-10-24-17)13-19(20)21-4-1-5-22(27-21)26-14-16-8-11-28-12-9-16/h1,4-5,13,15-17,24H,2-3,6-12,14H2,(H,26,27)/t17-/m1/s1.
What are the key properties of 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 400.95 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).