N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide

C19H27N3O2 — CID 154767215

IUPACN-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide
SMILESCc1ncccc1CN1CC2COCCC2(C(=O)NCC2CC2)C1
InChIInChI=1S/C19H27N3O2/c1-14-16(3-2-7-20-14)10-22-11-17-12-24-8-6-19(17,13-22)18(23)21-9-15-4-5-15/h2-3,7,15,17H,4-6,8-13H2,1H3,(H,21,23)
InChIKeyQRKIHXFUIFOJEE-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.75
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide

N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide (PubChem CID 154767215) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide
PubChem CID154767215
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide
SMILESCc1ncccc1CN1CC2COCCC2(C(=O)NCC2CC2)C1
InChIInChI=1S/C19H27N3O2/c1-14-16(3-2-7-20-14)10-22-11-17-12-24-8-6-19(17,13-22)18(23)21-9-15-4-5-15/h2-3,7,15,17H,4-6,8-13H2,1H3,(H,21,23)
InChIKeyQRKIHXFUIFOJEE-UHFFFAOYSA-N
XLogP1.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide (CID 154767215) is N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide is Cc1ncccc1CN1CC2COCCC2(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide?
The InChIKey is QRKIHXFUIFOJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-16(3-2-7-20-14)10-22-11-17-12-24-8-6-19(17,13-22)18(23)21-9-15-4-5-15/h2-3,7,15,17H,4-6,8-13H2,1H3,(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide?
N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide is sourced from PubChem (CID 154767215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).