N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide

C22H22N4O2 — CID 125157109

IUPACN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
SMILESCOc1nccnc1-c1cccc(C(=O)N[C@H](c2cc(C)ccn2)C2CC2)c1
InChIInChI=1S/C22H22N4O2/c1-14-8-9-23-18(12-14)19(15-6-7-15)26-21(27)17-5-3-4-16(13-17)20-22(28-2)25-11-10-24-20/h3-5,8-13,15,19H,6-7H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyGCCAPKSRKXMJKD-IBGZPJMESA-N
MW374.44 g/mol
LogP3.74
Rot. Bonds6

About N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide (PubChem CID 125157109) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
PubChem CID125157109
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
SMILESCOc1nccnc1-c1cccc(C(=O)N[C@H](c2cc(C)ccn2)C2CC2)c1
InChIInChI=1S/C22H22N4O2/c1-14-8-9-23-18(12-14)19(15-6-7-15)26-21(27)17-5-3-4-16(13-17)20-22(28-2)25-11-10-24-20/h3-5,8-13,15,19H,6-7H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyGCCAPKSRKXMJKD-IBGZPJMESA-N
XLogP3.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77084354
3-(chloromethyl)-N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
CID 146455897
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 74236477
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
CID 146371072
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 95120246
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77085408
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(3-methoxy-4-pyridinyl)benzamide
CID 146455893

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide (CID 125157109) is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide is COc1nccnc1-c1cccc(C(=O)N[C@H](c2cc(C)ccn2)C2CC2)c1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide?
The InChIKey is GCCAPKSRKXMJKD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-8-9-23-18(12-14)19(15-6-7-15)26-21(27)17-5-3-4-16(13-17)20-22(28-2)25-11-10-24-20/h3-5,8-13,15,19H,6-7H2,1-2H3,(H,26,27)/t19-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide?
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide is sourced from PubChem (CID 125157109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).