N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide

C16H21N5O2 — CID 119848570

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3COCCN3)cn2)n1
InChIInChI=1S/C16H21N5O2/c1-11-7-12(2)21(20-11)15-4-3-13(8-18-15)9-19-16(22)14-10-23-6-5-17-14/h3-4,7-8,14,17H,5-6,9-10H2,1-2H3,(H,19,22)
InChIKeyKFQHHBOQLZGHQS-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.49
Rot. Bonds4

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide (PubChem CID 119848570) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
PubChem CID119848570
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3COCCN3)cn2)n1
InChIInChI=1S/C16H21N5O2/c1-11-7-12(2)21(20-11)15-4-3-13(8-18-15)9-19-16(22)14-10-23-6-5-17-14/h3-4,7-8,14,17H,5-6,9-10H2,1-2H3,(H,19,22)
InChIKeyKFQHHBOQLZGHQS-UHFFFAOYSA-N
XLogP0.49
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119752904
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 126767913
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999039
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide (CID 119848570) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)C3COCCN3)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The InChIKey is KFQHHBOQLZGHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-7-12(2)21(20-11)15-4-3-13(8-18-15)9-19-16(22)14-10-23-6-5-17-14/h3-4,7-8,14,17H,5-6,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119848570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).