1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C25H32N8O2 — CID 25000735

IUPAC1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCC(C(=O)N(C)C)CC2)nc2nc(-c3ccc(N)nc3)ccc12
InChIInChI=1S/C25H32N8O2/c1-16-15-35-13-12-33(16)23-19-5-6-20(18-4-7-21(26)27-14-18)28-22(19)29-25(30-23)32-10-8-17(9-11-32)24(34)31(2)3/h4-7,14,16-17H,8-13,15H2,1-3H3,(H2,26,27)/t16-/m0/s1
InChIKeyNXNQITKLDHHWMB-INIZCTEOSA-N
MW476.59 g/mol
LogP2.20
Rot. Bonds4

About 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 25000735) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID25000735
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCC(C(=O)N(C)C)CC2)nc2nc(-c3ccc(N)nc3)ccc12
InChIInChI=1S/C25H32N8O2/c1-16-15-35-13-12-33(16)23-19-5-6-20(18-4-7-21(26)27-14-18)28-22(19)29-25(30-23)32-10-8-17(9-11-32)24(34)31(2)3/h4-7,14,16-17H,8-13,15H2,1-3H3,(H2,26,27)/t16-/m0/s1
InChIKeyNXNQITKLDHHWMB-INIZCTEOSA-N
XLogP2.20
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 25000735) is 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is C[C@H]1COCCN1c1nc(N2CCC(C(=O)N(C)C)CC2)nc2nc(-c3ccc(N)nc3)ccc12.
What is the InChIKey of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is NXNQITKLDHHWMB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-16-15-35-13-12-33(16)23-19-5-6-20(18-4-7-21(26)27-14-18)28-22(19)29-25(30-23)32-10-8-17(9-11-32)24(34)31(2)3/h4-7,14,16-17H,8-13,15H2,1-3H3,(H2,26,27)/t16-/m0/s1.
What are the key properties of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 25000735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).