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

C24H29N7O3 — CID 57441996

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cn1
InChIInChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)22-18-5-7-19(17-4-6-20(26-12-17)23(32)25-3)27-21(18)28-24(29-22)31-9-11-34-14-16(31)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,32)/t15-,16-/m0/s1
InChIKeyIENMWFAIHIXNBY-HOTGVXAUSA-N
MW463.54 g/mol
LogP1.90
Rot. Bonds4

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

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide (PubChem CID 57441996) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
PubChem CID57441996
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cn1
InChIInChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)22-18-5-7-19(17-4-6-20(26-12-17)23(32)25-3)27-21(18)28-24(29-22)31-9-11-34-14-16(31)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,32)/t15-,16-/m0/s1
InChIKeyIENMWFAIHIXNBY-HOTGVXAUSA-N
XLogP1.90
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide (CID 57441996) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-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-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cn1.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is IENMWFAIHIXNBY-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)22-18-5-7-19(17-4-6-20(26-12-17)23(32)25-3)27-21(18)28-24(29-22)31-9-11-34-14-16(31)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,32)/t15-,16-/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-methylpyridine-2-carboxamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 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-methylpyridine-2-carboxamide is sourced from PubChem (CID 57441996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).