1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide

C23H25ClN6O — CID 46221917

IUPAC1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C23H25ClN6O/c24-19-4-2-1-3-16(19)13-26-23-27-14-18-20(29-23)7-10-25-21(18)30-11-8-15(9-12-30)22(31)28-17-5-6-17/h1-4,7,10,14-15,17H,5-6,8-9,11-13H2,(H,28,31)(H,26,27,29)
InChIKeyZTAYPWGCDXLTHS-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.79
Rot. Bonds6

About 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 46221917) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID46221917
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C23H25ClN6O/c24-19-4-2-1-3-16(19)13-26-23-27-14-18-20(29-23)7-10-25-21(18)30-11-8-15(9-12-30)22(31)28-17-5-6-17/h1-4,7,10,14-15,17H,5-6,8-9,11-13H2,(H,28,31)(H,26,27,29)
InChIKeyZTAYPWGCDXLTHS-UHFFFAOYSA-N
XLogP3.79
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46221919
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46221722
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 58450164
[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate
CID 71256402
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 58450136
3-methoxypropyl 4-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylate
CID 58450142
[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46222358
[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-3-yl] N-(3-methoxypropyl)carbamate
CID 71256456
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
N-cyclopropyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 163345555
N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide (CID 46221917) is 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ZTAYPWGCDXLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c24-19-4-2-1-3-16(19)13-26-23-27-14-18-20(29-23)7-10-25-21(18)30-11-8-15(9-12-30)22(31)28-17-5-6-17/h1-4,7,10,14-15,17H,5-6,8-9,11-13H2,(H,28,31)(H,26,27,29).
What are the key properties of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide?
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 46221917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).