(3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

C24H31ClFN5O2 — CID 67043171

IUPAC(3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(C)C[C@@H](CNc2nc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CCO1
InChIInChI=1S/C24H31ClFN5O2/c1-24(2)11-15(7-9-33-24)12-29-22-19(26)5-6-20(30-22)17-10-21(28-14-18(17)25)31-23(32)16-4-3-8-27-13-16/h5-6,10,14-16,27H,3-4,7-9,11-13H2,1-2H3,(H,29,30)(H,28,31,32)/t15-,16+/m0/s1
InChIKeyCQXLVQSBWPBHOE-JKSUJKDBSA-N
MW476.00 g/mol
LogP4.49
Rot. Bonds6

About (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 67043171) has the molecular formula C24H31ClFN5O2 and a molecular weight of 476.00 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID67043171
Molecular FormulaC24H31ClFN5O2
Molecular Weight476.00 g/mol
Exact Mass475.22
IUPAC Name(3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(C)C[C@@H](CNc2nc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CCO1
InChIInChI=1S/C24H31ClFN5O2/c1-24(2)11-15(7-9-33-24)12-29-22-19(26)5-6-20(30-22)17-10-21(28-14-18(17)25)31-23(32)16-4-3-8-27-13-16/h5-6,10,14-16,27H,3-4,7-9,11-13H2,1-2H3,(H,29,30)(H,28,31,32)/t15-,16+/m0/s1
InChIKeyCQXLVQSBWPBHOE-JKSUJKDBSA-N
XLogP4.49
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67222084
4-N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906174
5'-chloro-3-fluoro-N2'-(trans-4-(2-methoxyethylamino)cyclohexyl)-N6-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 50906175
4-N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906393
4-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906394
4-N-[5-chloro-4-[3,5-dichloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906395
N2'-(trans-4-aminocyclohexyl)-5'-chloro-5-fluoro-N6-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 50906396
N2'-(trans-4-aminocyclohexyl)-5'-chloro-5-fluoro-N6-((4-methyltetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 50906612
4-N-[5-chloro-4-[6-[(4-fluorooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906613
N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-(((2R,6S)-2,6-di methyltetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 50906824
4-N-[5-chloro-4-[3,5-difluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50907428
trans-4-(3,5'-dichloro-6-((2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl)amino-2,4'-bipyridin-2'-yl-amino)cyclohexanol
CID 50907435

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 67043171) is (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is CC1(C)C[C@@H](CNc2nc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CCO1.
What is the InChIKey of (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is CQXLVQSBWPBHOE-JKSUJKDBSA-N. The full InChI is InChI=1S/C24H31ClFN5O2/c1-24(2)11-15(7-9-33-24)12-29-22-19(26)5-6-20(30-22)17-10-21(28-14-18(17)25)31-23(32)16-4-3-8-27-13-16/h5-6,10,14-16,27H,3-4,7-9,11-13H2,1-2H3,(H,29,30)(H,28,31,32)/t15-,16+/m0/s1.
What are the key properties of (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 67043171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).