N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C24H30N4O3 — CID 90011196

About N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90011196) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• PubChem CID: 90011196
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• SMILES: CC(C)CC(=O)[C@@]1(Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)CCNC1
• InChI: InChI=1S/C24H30N4O3/c1-17(2)12-22(29)24(9-11-26-16-24)31-21-7-5-20(6-8-21)27-23(30)28-14-19(15-28)18-4-3-10-25-13-18/h3-8,10,13,17,19,26H,9,11-12,14-16H2,1-2H3,(H,27,30)/t24-/m1/s1
• InChIKey: QEUKZILCZHDBEW-XMMPIXPASA-N
• XLogP: 3.44
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The IUPAC name of N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90011196) is N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

What is the SMILES notation for N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The canonical SMILES for N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is CC(C)CC(=O)[C@@]1(Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)CCNC1.

What is the InChIKey of N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The InChIKey is QEUKZILCZHDBEW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17(2)12-22(29)24(9-11-26-16-24)31-21-7-5-20(6-8-21)27-23(30)28-14-19(15-28)18-4-3-10-25-13-18/h3-8,10,13,17,19,26H,9,11-12,14-16H2,1-2H3,(H,27,30)/t24-/m1/s1.

What are the key properties of N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).