2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide

C24H23F2N7O — CID 167511541

IUPAC2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cccnc4N[C@@H](C)C(F)F)cnc3C)cc2cn1
InChIInChI=1S/C24H23F2N7O/c1-13-19(15-7-16-11-31-21(27-3)9-20(16)30-10-15)8-17(12-29-13)33-24(34)18-5-4-6-28-23(18)32-14(2)22(25)26/h4-12,14,22H,1-3H3,(H,27,31)(H,28,32)(H,33,34)/t14-/m0/s1
InChIKeyLTFWHSFHNBOYQS-AWEZNQCLSA-N
MW463.49 g/mol
LogP4.75
Rot. Bonds7

About 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide

2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 167511541) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID167511541
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cccnc4N[C@@H](C)C(F)F)cnc3C)cc2cn1
InChIInChI=1S/C24H23F2N7O/c1-13-19(15-7-16-11-31-21(27-3)9-20(16)30-10-15)8-17(12-29-13)33-24(34)18-5-4-6-28-23(18)32-14(2)22(25)26/h4-12,14,22H,1-3H3,(H,27,31)(H,28,32)(H,33,34)/t14-/m0/s1
InChIKeyLTFWHSFHNBOYQS-AWEZNQCLSA-N
XLogP4.75
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 167511541) is 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide is CNc1cc2ncc(-c3cc(NC(=O)c4cccnc4N[C@@H](C)C(F)F)cnc3C)cc2cn1.
What is the InChIKey of 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is LTFWHSFHNBOYQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-13-19(15-7-16-11-31-21(27-3)9-20(16)30-10-15)8-17(12-29-13)33-24(34)18-5-4-6-28-23(18)32-14(2)22(25)26/h4-12,14,22H,1-3H3,(H,27,31)(H,28,32)(H,33,34)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide?
2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 167511541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).