N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide

C15H21N3O3 — CID 91774068

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cn1
InChIInChI=1S/C15H21N3O3/c1-10-6-17-12(7-16-10)15(19)18-13-9-20-5-4-14(13)21-8-11-2-3-11/h6-7,11,13-14H,2-5,8-9H2,1H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyBBNUPYYWNVQZQL-KGLIPLIRSA-N
MW291.35 g/mol
LogP1.10
Rot. Bonds5

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91774068) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91774068
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cn1
InChIInChI=1S/C15H21N3O3/c1-10-6-17-12(7-16-10)15(19)18-13-9-20-5-4-14(13)21-8-11-2-3-11/h6-7,11,13-14H,2-5,8-9H2,1H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyBBNUPYYWNVQZQL-KGLIPLIRSA-N
XLogP1.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
CID 91790443
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1,3-oxazole-5-carboxamide
CID 91790782
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 91786638
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91763710
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 91789321
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91765978
5-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide
CID 91787977
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91762043
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91788580
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 91766556
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide (CID 91774068) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cn1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is BBNUPYYWNVQZQL-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-6-17-12(7-16-10)15(19)18-13-9-20-5-4-14(13)21-8-11-2-3-11/h6-7,11,13-14H,2-5,8-9H2,1H3,(H,18,19)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91774068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).