[(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C24H32N6O — CID 92622687

About [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 92622687) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
• PubChem CID: 92622687
• Molecular Formula: C24H32N6O
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.26
• IUPAC Name: [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
• SMILES: CNc1cc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)ccn1
• InChI: InChI=1S/C24H32N6O/c1-16-20-6-4-11-29(14-17-7-8-17)23(20)28-22(27-16)19-5-3-12-30(15-19)24(31)18-9-10-26-21(13-18)25-2/h9-10,13,17,19H,3-8,11-12,14-15H2,1-2H3,(H,25,26)/t19-/m0/s1
• InChIKey: OBBPFIKRYAFLOK-IBGZPJMESA-N
• XLogP: 3.40
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?

The IUPAC name of [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 92622687) is [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

What is the SMILES notation for [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?

The canonical SMILES for [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)ccn1.

What is the InChIKey of [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?

The InChIKey is OBBPFIKRYAFLOK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N6O/c1-16-20-6-4-11-29(14-17-7-8-17)23(20)28-22(27-16)19-5-3-12-30(15-19)24(31)18-9-10-26-21(13-18)25-2/h9-10,13,17,19H,3-8,11-12,14-15H2,1-2H3,(H,25,26)/t19-/m0/s1.

What are the key properties of [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?

[(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 420.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 92622687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).