N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C21H16F3N7O — CID 155253617

IUPACN-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)cnc3C)cnc2n1
InChIInChI=1S/C21H16F3N7O/c1-11-16(13-5-14-9-29-20(25-2)31-18(14)28-8-13)7-15(10-27-11)30-19(32)12-3-4-26-17(6-12)21(22,23)24/h3-10H,1-2H3,(H,30,32)(H,25,28,29,31)
InChIKeyWWAMKDHTDXJHQP-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.10
Rot. Bonds4

About N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253617) has the molecular formula C21H16F3N7O and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253617
Molecular FormulaC21H16F3N7O
Molecular Weight439.40 g/mol
Exact Mass439.14
IUPAC NameN-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)cnc3C)cnc2n1
InChIInChI=1S/C21H16F3N7O/c1-11-16(13-5-14-9-29-20(25-2)31-18(14)28-8-13)7-15(10-27-11)30-19(32)12-3-4-26-17(6-12)21(22,23)24/h3-10H,1-2H3,(H,30,32)(H,25,28,29,31)
InChIKeyWWAMKDHTDXJHQP-UHFFFAOYSA-N
XLogP4.10
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253617) is N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)cnc3C)cnc2n1.
What is the InChIKey of N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is WWAMKDHTDXJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O/c1-11-16(13-5-14-9-29-20(25-2)31-18(14)28-8-13)7-15(10-27-11)30-19(32)12-3-4-26-17(6-12)21(22,23)24/h3-10H,1-2H3,(H,30,32)(H,25,28,29,31).
What are the key properties of N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).