3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide

C30H30ClN7O2 — CID 175437650

About 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide

3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide (PubChem CID 175437650) has the molecular formula C30H30ClN7O2 and a molecular weight of 556.07 g/mol. Its IUPAC name is 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide
• PubChem CID: 175437650
• Molecular Formula: C30H30ClN7O2
• Molecular Weight: 556.07 g/mol
• Exact Mass: 555.21
• IUPAC Name: 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide
• SMILES: CC=CN1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N
• InChI: InChI=1S/C30H30ClN7O2/c1-2-16-37-17-4-3-5-24(37)29-36-26(27(28(32)39)38(29)33)20-6-8-21(9-7-20)30(40)35-25-18-22(14-15-34-25)19-10-12-23(31)13-11-19/h2,6-16,18,24H,3-5,17,33H2,1H3,(H2,32,39)(H,34,35,40)/t24-/m0/s1
• InChIKey: FDANPQXSCOLZMR-DEOSSOPVSA-N
• XLogP: 5.39
• TPSA: 132.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.07
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide?

The IUPAC name of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide (CID 175437650) is 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide.

What is the SMILES notation for 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide?

The canonical SMILES for 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide is CC=CN1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N.

What is the InChIKey of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide?

The InChIKey is FDANPQXSCOLZMR-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H30ClN7O2/c1-2-16-37-17-4-3-5-24(37)29-36-26(27(28(32)39)38(29)33)20-6-8-21(9-7-20)30(40)35-25-18-22(14-15-34-25)19-10-12-23(31)13-11-19/h2,6-16,18,24H,3-5,17,33H2,1H3,(H2,32,39)(H,34,35,40)/t24-/m0/s1.

What are the key properties of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide?

3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide has a molecular weight of 556.07 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 175437650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).