1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide

C19H24N4O3 — CID 91760003

IUPAC1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(Cn3ccnc3)CC2)cn1
InChIInChI=1S/C19H24N4O3/c1-14-2-3-15(10-21-14)26-17-4-9-25-11-16(17)22-18(24)19(5-6-19)12-23-8-7-20-13-23/h2-3,7-8,10,13,16-17H,4-6,9,11-12H2,1H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyKXSCXIGMNYSDGU-SJORKVTESA-N
MW356.43 g/mol
LogP1.72
Rot. Bonds6

About 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide

1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide (PubChem CID 91760003) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide
PubChem CID91760003
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(Cn3ccnc3)CC2)cn1
InChIInChI=1S/C19H24N4O3/c1-14-2-3-15(10-21-14)26-17-4-9-25-11-16(17)22-18(24)19(5-6-19)12-23-8-7-20-13-23/h2-3,7-8,10,13,16-17H,4-6,9,11-12H2,1H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyKXSCXIGMNYSDGU-SJORKVTESA-N
XLogP1.72
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide (CID 91760003) is 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide is Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(Cn3ccnc3)CC2)cn1.
What is the InChIKey of 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is KXSCXIGMNYSDGU-SJORKVTESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-2-3-15(10-21-14)26-17-4-9-25-11-16(17)22-18(24)19(5-6-19)12-23-8-7-20-13-23/h2-3,7-8,10,13,16-17H,4-6,9,11-12H2,1H3,(H,22,24)/t16-,17+/m1/s1.
What are the key properties of 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide?
1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazol-1-ylmethyl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91760003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).