N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

C15H18N4O — CID 97251106

IUPACN-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1ccnc([C@@H](NC(=O)c2cc[nH]c2C)C2CC2)n1
InChIInChI=1S/C15H18N4O/c1-9-5-7-17-14(18-9)13(11-3-4-11)19-15(20)12-6-8-16-10(12)2/h5-8,11,13,16H,3-4H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyRSGOHHCWQDSGFU-ZDUSSCGKSA-N
MW270.34 g/mol
LogP2.30
Rot. Bonds4

About N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 97251106) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID97251106
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1ccnc([C@@H](NC(=O)c2cc[nH]c2C)C2CC2)n1
InChIInChI=1S/C15H18N4O/c1-9-5-7-17-14(18-9)13(11-3-4-11)19-15(20)12-6-8-16-10(12)2/h5-8,11,13,16H,3-4H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyRSGOHHCWQDSGFU-ZDUSSCGKSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 97251106) is N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1ccnc([C@@H](NC(=O)c2cc[nH]c2C)C2CC2)n1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is RSGOHHCWQDSGFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-5-7-17-14(18-9)13(11-3-4-11)19-15(20)12-6-8-16-10(12)2/h5-8,11,13,16H,3-4H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97251106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).