N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

C34H35ClF2N6O4 — CID 170696363

About N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (PubChem CID 170696363) has the molecular formula C34H35ClF2N6O4 and a molecular weight of 665.14 g/mol. Its IUPAC name is N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
• PubChem CID: 170696363
• Molecular Formula: C34H35ClF2N6O4
• Molecular Weight: 665.14 g/mol
• Exact Mass: 664.24
• IUPAC Name: N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
• SMILES: Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1ccnc(-c2ccc(CNC[C@@H]3CCC(=O)N3)c(OC(F)F)c2)c1Cl
• InChI: InChI=1S/C34H35ClF2N6O4/c1-20-25(3-2-4-27(20)43-33(46)28-9-5-21(17-41-28)16-38-13-14-44)26-11-12-40-32(31(26)35)22-6-7-23(29(15-22)47-34(36)37)18-39-19-24-8-10-30(45)42-24/h2-7,9,11-12,15,17,24,34,38-39,44H,8,10,13-14,16,18-19H2,1H3,(H,42,45)(H,43,46)/t24-/m0/s1
• InChIKey: KNIVPYFIPCNPTE-DEOSSOPVSA-N
• XLogP: 5.08
• TPSA: 137.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.14
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (CID 170696363) is N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1ccnc(-c2ccc(CNC[C@@H]3CCC(=O)N3)c(OC(F)F)c2)c1Cl.

What is the InChIKey of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?

The InChIKey is KNIVPYFIPCNPTE-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H35ClF2N6O4/c1-20-25(3-2-4-27(20)43-33(46)28-9-5-21(17-41-28)16-38-13-14-44)26-11-12-40-32(31(26)35)22-6-7-23(29(15-22)47-34(36)37)18-39-19-24-8-10-30(45)42-24/h2-7,9,11-12,15,17,24,34,38-39,44H,8,10,13-14,16,18-19H2,1H3,(H,42,45)(H,43,46)/t24-/m0/s1.

What are the key properties of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?

N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide has a molecular weight of 665.14 g/mol, XLogP of 5.08, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 170696363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).