N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide

C17H26N4O2 — CID 97459852

IUPACN-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NC[C@@H]1OC[C@H]2CN(CC3CC3)CC[C@H]21
InChIInChI=1S/C17H26N4O2/c1-20-7-5-18-16(20)17(22)19-8-15-14-4-6-21(9-12-2-3-12)10-13(14)11-23-15/h5,7,12-15H,2-4,6,8-11H2,1H3,(H,19,22)/t13-,14-,15+/m1/s1
InChIKeyFINBABQQKUEXBD-KFWWJZLASA-N
MW318.42 g/mol
LogP0.90
Rot. Bonds5

About N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide

N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide (PubChem CID 97459852) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
PubChem CID97459852
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NC[C@@H]1OC[C@H]2CN(CC3CC3)CC[C@H]21
InChIInChI=1S/C17H26N4O2/c1-20-7-5-18-16(20)17(22)19-8-15-14-4-6-21(9-12-2-3-12)10-13(14)11-23-15/h5,7,12-15H,2-4,6,8-11H2,1H3,(H,19,22)/t13-,14-,15+/m1/s1
InChIKeyFINBABQQKUEXBD-KFWWJZLASA-N
XLogP0.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide (CID 97459852) is N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2CN(CC3CC3)CC[C@H]21.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The InChIKey is FINBABQQKUEXBD-KFWWJZLASA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20-7-5-18-16(20)17(22)19-8-15-14-4-6-21(9-12-2-3-12)10-13(14)11-23-15/h5,7,12-15H,2-4,6,8-11H2,1H3,(H,19,22)/t13-,14-,15+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 97459852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).