N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide

C18H22N4O — CID 77085408

IUPACN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC(c1cc(C)ccn1)C1CC1
InChIInChI=1S/C18H22N4O/c1-3-4-15-14(10-19-11-21-15)18(23)22-17(13-5-6-13)16-9-12(2)7-8-20-16/h7-11,13,17H,3-6H2,1-2H3,(H,22,23)
InChIKeyIOFDSSPCRZKQLL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds6

About N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide

N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 77085408) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID77085408
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC(c1cc(C)ccn1)C1CC1
InChIInChI=1S/C18H22N4O/c1-3-4-15-14(10-19-11-21-15)18(23)22-17(13-5-6-13)16-9-12(2)7-8-20-16/h7-11,13,17H,3-6H2,1-2H3,(H,22,23)
InChIKeyIOFDSSPCRZKQLL-UHFFFAOYSA-N
XLogP3.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 74236477
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 99938331
(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 122565131
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 95120246
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77084354
[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
CID 146371072
N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271720

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide (CID 77085408) is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NC(c1cc(C)ccn1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is IOFDSSPCRZKQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-4-15-14(10-19-11-21-15)18(23)22-17(13-5-6-13)16-9-12(2)7-8-20-16/h7-11,13,17H,3-6H2,1-2H3,(H,22,23).
What are the key properties of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide?
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77085408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).