(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

C18H26N4O3 — CID 97461441

IUPAC(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cc(N2CC[C@H]3O[C@H](C(=O)NC4CCCC4)CC[C@H]32)ncn1
InChIInChI=1S/C18H26N4O3/c1-24-17-10-16(19-11-20-17)22-9-8-14-13(22)6-7-15(25-14)18(23)21-12-4-2-3-5-12/h10-15H,2-9H2,1H3,(H,21,23)/t13-,14-,15+/m1/s1
InChIKeyQGHOPAAZAFZRJT-KFWWJZLASA-N
MW346.43 g/mol
LogP1.67
Rot. Bonds4

About (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (PubChem CID 97461441) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
PubChem CID97461441
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cc(N2CC[C@H]3O[C@H](C(=O)NC4CCCC4)CC[C@H]32)ncn1
InChIInChI=1S/C18H26N4O3/c1-24-17-10-16(19-11-20-17)22-9-8-14-13(22)6-7-15(25-14)18(23)21-12-4-2-3-5-12/h10-15H,2-9H2,1H3,(H,21,23)/t13-,14-,15+/m1/s1
InChIKeyQGHOPAAZAFZRJT-KFWWJZLASA-N
XLogP1.67
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 155902077
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
(3aR,4S,7aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124797865
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
(3aR,5S,7aR)-N-(pyridin-2-ylmethyl)-1-pyrimidin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97364808
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
[(3aR,6aS)-1-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1,2-oxazol-5-yl)methanone
CID 98777221
4-methoxy-6-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 66318975
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide
CID 171323466

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (CID 97461441) is (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is COc1cc(N2CC[C@H]3O[C@H](C(=O)NC4CCCC4)CC[C@H]32)ncn1.
What is the InChIKey of (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The InChIKey is QGHOPAAZAFZRJT-KFWWJZLASA-N. The full InChI is InChI=1S/C18H26N4O3/c1-24-17-10-16(19-11-20-17)22-9-8-14-13(22)6-7-15(25-14)18(23)21-12-4-2-3-5-12/h10-15H,2-9H2,1H3,(H,21,23)/t13-,14-,15+/m1/s1.
What are the key properties of (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 97461441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).