N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

C17H24N6O3 — CID 75536470

IUPACN-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O)C1CC1
InChIInChI=1S/C17H24N6O3/c24-16-12(10-26-13(16)7-22-17(25)11-1-2-11)23(8-14-18-3-4-19-14)9-15-20-5-6-21-15/h3-6,11-13,16,24H,1-2,7-10H2,(H,18,19)(H,20,21)(H,22,25)/t12-,13-,16+/m1/s1
InChIKeyQXBCYSAXQDNYIY-IOASZLSFSA-N
MW360.42 g/mol
LogP-0.21
Rot. Bonds8

About N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75536470) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75536470
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O)C1CC1
InChIInChI=1S/C17H24N6O3/c24-16-12(10-26-13(16)7-22-17(25)11-1-2-11)23(8-14-18-3-4-19-14)9-15-20-5-6-21-15/h3-6,11-13,16,24H,1-2,7-10H2,(H,18,19)(H,20,21)(H,22,25)/t12-,13-,16+/m1/s1
InChIKeyQXBCYSAXQDNYIY-IOASZLSFSA-N
XLogP-0.21
TPSA119.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 75536470) is N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O)C1CC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QXBCYSAXQDNYIY-IOASZLSFSA-N. The full InChI is InChI=1S/C17H24N6O3/c24-16-12(10-26-13(16)7-22-17(25)11-1-2-11)23(8-14-18-3-4-19-14)9-15-20-5-6-21-15/h3-6,11-13,16,24H,1-2,7-10H2,(H,18,19)(H,20,21)(H,22,25)/t12-,13-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 360.42 g/mol, XLogP of -0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75536470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).