N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide

C32H34Cl2N6O4 — CID 146206931

About N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide

N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 146206931) has the molecular formula C32H34Cl2N6O4 and a molecular weight of 637.57 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 146206931
• Molecular Formula: C32H34Cl2N6O4
• Molecular Weight: 637.57 g/mol
• Exact Mass: 636.20
• IUPAC Name: N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)N[C@H](C)CN)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)N[C@H](C)CN
• InChI: InChI=1S/C32H34Cl2N6O4/c1-17(15-35)37-29(41)23-11-13-25(39-31(23)43-3)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)26-14-12-24(32(40-26)44-4)30(42)38-18(2)16-36/h5-14,17-18H,15-16,35-36H2,1-4H3,(H,37,41)(H,38,42)/t17-,18-/m1/s1
• InChIKey: RJVTUFIGKYUDKM-QZTJIDSGSA-N
• XLogP: 4.96
• TPSA: 154.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide (CID 146206931) is N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)N[C@H](C)CN)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)N[C@H](C)CN.

What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is RJVTUFIGKYUDKM-QZTJIDSGSA-N. The full InChI is InChI=1S/C32H34Cl2N6O4/c1-17(15-35)37-29(41)23-11-13-25(39-31(23)43-3)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)26-14-12-24(32(40-26)44-4)30(42)38-18(2)16-36/h5-14,17-18H,15-16,35-36H2,1-4H3,(H,37,41)(H,38,42)/t17-,18-/m1/s1.

What are the key properties of N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 637.57 g/mol, XLogP of 4.96, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 146206931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).