N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H15N5O2 — CID 156780176

IUPACN-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESN#Cc1cn(CC2CC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
InChIInChI=1S/C18H15N5O2/c19-7-12-9-23(8-11-1-2-11)16-4-3-13(5-14(12)16)22-18(25)15-6-17(24)21-10-20-15/h3-6,9-11H,1-2,8H2,(H,22,25)(H,20,21,24)
InChIKeyBSXYOAABUMJNIO-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.26
Rot. Bonds4

About N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 156780176) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID156780176
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESN#Cc1cn(CC2CC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
InChIInChI=1S/C18H15N5O2/c19-7-12-9-23(8-11-1-2-11)16-4-3-13(5-14(12)16)22-18(25)15-6-17(24)21-10-20-15/h3-6,9-11H,1-2,8H2,(H,22,25)(H,20,21,24)
InChIKeyBSXYOAABUMJNIO-UHFFFAOYSA-N
XLogP2.26
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyano-N-cyclopropyl-3-(1H-indol-3-yl)-acrylamide
CID 787832
2-Cyano-N-cyclopropyl-3-{1-[(2-methoxy-ethylcarbamoyl)-methyl]-1H-indol-3-yl}-acrylamide
CID 5767023
2-(3-cyano-1H-indol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 894234
Dynole 34-2
CID 44157463
(2S)-N-[4-[[3-cyano-1-(2-methylpropyl)indol-5-yl]-methylamino]phenyl]pyrrolidine-2-carboxamide
CID 118735142
N-(3-cyano-1-prop-2-enylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780173
N-(3-cyano-1-prop-2-ynylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780175
N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780179
N-[3-cyano-1-(3-methylbutyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780181
N-[3-cyano-1-[(2-fluorophenyl)methyl]indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780184
N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780186
N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 156780190

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 156780176) is N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide is N#Cc1cn(CC2CC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12.
What is the InChIKey of N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is BSXYOAABUMJNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-7-12-9-23(8-11-1-2-11)16-4-3-13(5-14(12)16)22-18(25)15-6-17(24)21-10-20-15/h3-6,9-11H,1-2,8H2,(H,22,25)(H,20,21,24).
What are the key properties of N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156780176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).