N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide

C18H20N4O2 — CID 37294420

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N4O2/c23-17(10-3-13-2-1-11-19-12-13)20-14-4-6-15(7-5-14)21-18(24)22-16-8-9-16/h1-2,4-7,11-12,16H,3,8-10H2,(H,20,23)(H2,21,22,24)
InChIKeyLFOZLMZDSLADBT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.94
Rot. Bonds6

About N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 37294420) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
PubChem CID37294420
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N4O2/c23-17(10-3-13-2-1-11-19-12-13)20-14-4-6-15(7-5-14)21-18(24)22-16-8-9-16/h1-2,4-7,11-12,16H,3,8-10H2,(H,20,23)(H2,21,22,24)
InChIKeyLFOZLMZDSLADBT-UHFFFAOYSA-N
XLogP2.94
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide (CID 37294420) is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is LFOZLMZDSLADBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(10-3-13-2-1-11-19-12-13)20-14-4-6-15(7-5-14)21-18(24)22-16-8-9-16/h1-2,4-7,11-12,16H,3,8-10H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 37294420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).