N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C20H23N5O3 — CID 46229895

IUPACN-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1
InChIInChI=1S/C20H23N5O3/c1-3-23-17(26)15-6-4-14(5-7-15)13(2)24-19(28)20(8-9-20)25-18(27)16-10-21-12-22-11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m1/s1
InChIKeyAIKMOFNDAYQBRB-CYBMUJFWSA-N
MW381.44 g/mol
LogP1.37
Rot. Bonds7

About N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 46229895) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID46229895
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1
InChIInChI=1S/C20H23N5O3/c1-3-23-17(26)15-6-4-14(5-7-15)13(2)24-19(28)20(8-9-20)25-18(27)16-10-21-12-22-11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m1/s1
InChIKeyAIKMOFNDAYQBRB-CYBMUJFWSA-N
XLogP1.37
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 46229895) is N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is CCNC(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1.
What is the InChIKey of N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is AIKMOFNDAYQBRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-23-17(26)15-6-4-14(5-7-15)13(2)24-19(28)20(8-9-20)25-18(27)16-10-21-12-22-11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46229895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).