1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea

C17H29N5O2 — CID 94178037

IUPAC1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
SMILESCOC[C@@H](C)N(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N5O2/c1-14(13-24-4)21(3)17(23)19-12-15-5-6-18-16(11-15)22-9-7-20(2)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyUULLPUGOPNAXGX-CQSZACIVSA-N
MW335.45 g/mol
LogP1.01
Rot. Bonds6

About 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea

1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea (PubChem CID 94178037) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
PubChem CID94178037
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
SMILESCOC[C@@H](C)N(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N5O2/c1-14(13-24-4)21(3)17(23)19-12-15-5-6-18-16(11-15)22-9-7-20(2)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyUULLPUGOPNAXGX-CQSZACIVSA-N
XLogP1.01
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 95134145
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 51084308
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55911620
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 55794851
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea (CID 94178037) is 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea is COC[C@@H](C)N(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
The InChIKey is UULLPUGOPNAXGX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14(13-24-4)21(3)17(23)19-12-15-5-6-18-16(11-15)22-9-7-20(2)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 94178037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).