2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide

C18H20N4O2 — CID 138028084

IUPAC2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide
SMILESNC(=O)CC1CC(NC(=O)Nc2ccnc(-c3ccccc3)c2)C1
InChIInChI=1S/C18H20N4O2/c19-17(23)10-12-8-15(9-12)22-18(24)21-14-6-7-20-16(11-14)13-4-2-1-3-5-13/h1-7,11-12,15H,8-10H2,(H2,19,23)(H2,20,21,22,24)
InChIKeyCGSFKDYJGRBNKX-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide

2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide (PubChem CID 138028084) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide
PubChem CID138028084
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide
SMILESNC(=O)CC1CC(NC(=O)Nc2ccnc(-c3ccccc3)c2)C1
InChIInChI=1S/C18H20N4O2/c19-17(23)10-12-8-15(9-12)22-18(24)21-14-6-7-20-16(11-14)13-4-2-1-3-5-13/h1-7,11-12,15H,8-10H2,(H2,19,23)(H2,20,21,22,24)
InChIKeyCGSFKDYJGRBNKX-UHFFFAOYSA-N
XLogP2.52
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ximelegatran
CID 448042
2-phenyl-N-(pyridin-4-yl)butanamide
CID 427060
(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134817505
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
4-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 836345
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
1-[4-(Propan-2-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 6470487
3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 24819620
2-phenyl-N-4-pyridinylcyclopropanecarboxamide
CID 2933570
4-(1-aminoethyl)-N-pyridin-4-yl-1-cyclohexanecarboxamide
CID 5711
4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 836347
(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-urea
CID 10341289

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide?
The IUPAC name of 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide (CID 138028084) is 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide.
What is the SMILES notation for 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide?
The canonical SMILES for 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide is NC(=O)CC1CC(NC(=O)Nc2ccnc(-c3ccccc3)c2)C1.
What is the InChIKey of 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide?
The InChIKey is CGSFKDYJGRBNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(23)10-12-8-15(9-12)22-18(24)21-14-6-7-20-16(11-14)13-4-2-1-3-5-13/h1-7,11-12,15H,8-10H2,(H2,19,23)(H2,20,21,22,24).
What are the key properties of 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide?
2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-phenyl-4-pyridinyl)carbamoylamino]cyclobutyl]acetamide is sourced from PubChem (CID 138028084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).