1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea

C18H25N7O2 — CID 178146886

IUPAC1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea
SMILESCCOc1cnc(NC(=O)N(C)[C@@H]2CCCN(c3cc(N)ccn3)C2)cn1
InChIInChI=1S/C18H25N7O2/c1-3-27-17-11-21-15(10-22-17)23-18(26)24(2)14-5-4-8-25(12-14)16-9-13(19)6-7-20-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H2,19,20)(H,21,23,26)/t14-/m1/s1
InChIKeyQZLMRBAVLAPMSD-CQSZACIVSA-N
MW371.45 g/mol
LogP1.99
Rot. Bonds5

About 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea

1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea (PubChem CID 178146886) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea
PubChem CID178146886
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea
SMILESCCOc1cnc(NC(=O)N(C)[C@@H]2CCCN(c3cc(N)ccn3)C2)cn1
InChIInChI=1S/C18H25N7O2/c1-3-27-17-11-21-15(10-22-17)23-18(26)24(2)14-5-4-8-25(12-14)16-9-13(19)6-7-20-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H2,19,20)(H,21,23,26)/t14-/m1/s1
InChIKeyQZLMRBAVLAPMSD-CQSZACIVSA-N
XLogP1.99
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea with MolForge

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Related Compounds

cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147183
2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147010
3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea
CID 178146937
(1,4-dimethylpiperidin-4-yl) N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]-4-pyridinyl]carbamate
CID 178147348
(1S)-2-azabicyclo[2.2.0]hexane;[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]-4-pyridinyl]carbamic acid
CID 178147471
(1,4-dimethylpiperidin-4-yl) N-[2-[(3S)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]-4-pyridinyl]carbamate
CID 178147359
ethane;(1-methylpyrrolidin-2-yl)methyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147066
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium
CID 178147049
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
oxan-4-yl N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147102
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea?
The IUPAC name of 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea (CID 178146886) is 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea.
What is the SMILES notation for 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea?
The canonical SMILES for 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea is CCOc1cnc(NC(=O)N(C)[C@@H]2CCCN(c3cc(N)ccn3)C2)cn1.
What is the InChIKey of 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea?
The InChIKey is QZLMRBAVLAPMSD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-3-27-17-11-21-15(10-22-17)23-18(26)24(2)14-5-4-8-25(12-14)16-9-13(19)6-7-20-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H2,19,20)(H,21,23,26)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea?
1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea has a molecular weight of 371.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea is sourced from PubChem (CID 178146886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).