N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide

C27H30N4O4 — CID 46869622

IUPACN-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide
SMILESCN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C27H30N4O4/c1-30-15-17-31(18-16-30)27(33)24(20-34-19-21-9-4-2-5-10-21)29-25(32)23-13-8-14-28-26(23)35-22-11-6-3-7-12-22/h2-14,24H,15-20H2,1H3,(H,29,32)/t24-/m1/s1
InChIKeyGXXSHKHQFSWSMP-XMMPIXPASA-N
MW474.56 g/mol
LogP2.96
Rot. Bonds9

About N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide

N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide (PubChem CID 46869622) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide
PubChem CID46869622
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide
SMILESCN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C27H30N4O4/c1-30-15-17-31(18-16-30)27(33)24(20-34-19-21-9-4-2-5-10-21)29-25(32)23-13-8-14-28-26(23)35-22-11-6-3-7-12-22/h2-14,24H,15-20H2,1H3,(H,29,32)/t24-/m1/s1
InChIKeyGXXSHKHQFSWSMP-XMMPIXPASA-N
XLogP2.96
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide (CID 46869622) is N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide is CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccccc2)CC1.
What is the InChIKey of N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is GXXSHKHQFSWSMP-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N4O4/c1-30-15-17-31(18-16-30)27(33)24(20-34-19-21-9-4-2-5-10-21)29-25(32)23-13-8-14-28-26(23)35-22-11-6-3-7-12-22/h2-14,24H,15-20H2,1H3,(H,29,32)/t24-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide?
N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 46869622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).