(2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

C18H28N4O3 — CID 95299231

IUPAC(2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C18H28N4O3/c1-14(25-13-16-4-3-11-24-16)18(23)20-17-6-5-15(12-19-17)22-9-7-21(2)8-10-22/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,19,20,23)/t14-,16-/m1/s1
InChIKeyVYFORBHBSCJHGO-GDBMZVCRSA-N
MW348.45 g/mol
LogP1.36
Rot. Bonds6

About (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

(2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (PubChem CID 95299231) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
PubChem CID95299231
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C18H28N4O3/c1-14(25-13-16-4-3-11-24-16)18(23)20-17-6-5-15(12-19-17)22-9-7-21(2)8-10-22/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,19,20,23)/t14-,16-/m1/s1
InChIKeyVYFORBHBSCJHGO-GDBMZVCRSA-N
XLogP1.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94391895
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 95273188
N-imidazo[1,2-a]pyrimidin-6-yl-2-(oxolan-2-ylmethoxy)propanamide
CID 126832682
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (CID 95299231) is (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is VYFORBHBSCJHGO-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(25-13-16-4-3-11-24-16)18(23)20-17-6-5-15(12-19-17)22-9-7-21(2)8-10-22/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,19,20,23)/t14-,16-/m1/s1.
What are the key properties of (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95299231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).