N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide

C22H29ClN6O2 — CID 123465542

IUPACN-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(CNc2ccnc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)n2)CCOCC1
InChIInChI=1S/C22H29ClN6O2/c1-22(5-9-31-10-6-22)14-27-18-4-8-25-20(28-18)16-11-19(26-13-17(16)23)29-21(30)15-3-2-7-24-12-15/h4,8,11,13,15,24H,2-3,5-7,9-10,12,14H2,1H3,(H,25,27,28)(H,26,29,30)
InChIKeyWDNKZWAJCPEKFQ-UHFFFAOYSA-N
MW444.97 g/mol
LogP3.36
Rot. Bonds6

About N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 123465542) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID123465542
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC NameN-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(CNc2ccnc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)n2)CCOCC1
InChIInChI=1S/C22H29ClN6O2/c1-22(5-9-31-10-6-22)14-27-18-4-8-25-20(28-18)16-11-19(26-13-17(16)23)29-21(30)15-3-2-7-24-12-15/h4,8,11,13,15,24H,2-3,5-7,9-10,12,14H2,1H3,(H,25,27,28)(H,26,29,30)
InChIKeyWDNKZWAJCPEKFQ-UHFFFAOYSA-N
XLogP3.36
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 123514741
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 77242911
(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413200
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 77407686
N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 50991962
N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 72661282
(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412692
2-[5-chloro-4-[3-chloro-6-[(4-methoxyoxan-4-yl)methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161445456
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 123465542) is N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide is CC1(CNc2ccnc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)n2)CCOCC1.
What is the InChIKey of N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is WDNKZWAJCPEKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O2/c1-22(5-9-31-10-6-22)14-27-18-4-8-25-20(28-18)16-11-19(26-13-17(16)23)29-21(30)15-3-2-7-24-12-15/h4,8,11,13,15,24H,2-3,5-7,9-10,12,14H2,1H3,(H,25,27,28)(H,26,29,30).
What are the key properties of N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 444.97 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 123465542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).