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

C23H25ClN6O — CID 46221919

IUPAC1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C23H25ClN6O/c1-2-10-26-22(31)16-8-12-30(13-9-16)21-18-15-28-23(29-20(18)7-11-25-21)27-14-17-5-3-4-6-19(17)24/h2-7,11,15-16H,1,8-10,12-14H2,(H,26,31)(H,27,28,29)
InChIKeyDLAOTPZIZDYNEI-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.81
Rot. Bonds7

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

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 46221919) 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-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID46221919
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C23H25ClN6O/c1-2-10-26-22(31)16-8-12-30(13-9-16)21-18-15-28-23(29-20(18)7-11-25-21)27-14-17-5-3-4-6-19(17)24/h2-7,11,15-16H,1,8-10,12-14H2,(H,26,31)(H,27,28,29)
InChIKeyDLAOTPZIZDYNEI-UHFFFAOYSA-N
XLogP3.81
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 46221917
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]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46221722
[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate
CID 71256402
1-[4-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperazin-1-yl]-3-(diethylamino)propan-1-one
CID 58450115
3-methoxypropyl 4-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylate
CID 58450142
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
[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
N-[(2-chlorophenyl)methyl]-1-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)piperidine-4-carboxamide
CID 27372557
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide (CID 46221919) is 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is DLAOTPZIZDYNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-2-10-26-22(31)16-8-12-30(13-9-16)21-18-15-28-23(29-20(18)7-11-25-21)27-14-17-5-3-4-6-19(17)24/h2-7,11,15-16H,1,8-10,12-14H2,(H,26,31)(H,27,28,29).
What are the key properties of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide?
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.81, 7 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-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 46221919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).