N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide

C27H31FN6O — CID 69461070

About N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide

N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide (PubChem CID 69461070) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide
• PubChem CID: 69461070
• Molecular Formula: C27H31FN6O
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.25
• IUPAC Name: N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC2CC2)nc1
• InChI: InChI=1S/C27H31FN6O/c1-18-25(27(35)33-21-7-8-26(31-16-21)30-15-19-5-6-19)14-23(17-29-18)32-22-11-20(28)12-24(13-22)34-9-3-2-4-10-34/h7-8,11-14,16-17,19,32H,2-6,9-10,15H2,1H3,(H,30,31)(H,33,35)
• InChIKey: UJUISDPPKKQCNP-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 82.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide?

The IUPAC name of N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide (CID 69461070) is N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide?

The canonical SMILES for N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide is Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC2CC2)nc1.

What is the InChIKey of N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide?

The InChIKey is UJUISDPPKKQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-18-25(27(35)33-21-7-8-26(31-16-21)30-15-19-5-6-19)14-23(17-29-18)32-22-11-20(28)12-24(13-22)34-9-3-2-4-10-34/h7-8,11-14,16-17,19,32H,2-6,9-10,15H2,1H3,(H,30,31)(H,33,35).

What are the key properties of N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide?

N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 5.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 69461070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).