5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide

C25H31N7O3 — CID 57441997

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(=O)N(C)C)nc3)nc2n1
InChIInChI=1S/C25H31N7O3/c1-16-14-34-11-9-31(16)23-19-6-8-20(18-5-7-21(26-13-18)24(33)30(3)4)27-22(19)28-25(29-23)32-10-12-35-15-17(32)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyCQEZLBPYFFYFIS-IRXDYDNUSA-N
MW477.57 g/mol
LogP2.24
Rot. Bonds4

About 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 57441997) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID57441997
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(=O)N(C)C)nc3)nc2n1
InChIInChI=1S/C25H31N7O3/c1-16-14-34-11-9-31(16)23-19-6-8-20(18-5-7-21(26-13-18)24(33)30(3)4)27-22(19)28-25(29-23)32-10-12-35-15-17(32)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyCQEZLBPYFFYFIS-IRXDYDNUSA-N
XLogP2.24
TPSA96.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide (CID 57441997) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(=O)N(C)C)nc3)nc2n1.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is CQEZLBPYFFYFIS-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-16-14-34-11-9-31(16)23-19-6-8-20(18-5-7-21(26-13-18)24(33)30(3)4)27-22(19)28-25(29-23)32-10-12-35-15-17(32)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 57441997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).