(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide

C18H25N5O2 — CID 164642327

IUPAC(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide
SMILESCn1nccc1[C@@H]1CN(C(=O)NCC(C)(C)c2cccnc2)CCO1
InChIInChI=1S/C18H25N5O2/c1-18(2,14-5-4-7-19-11-14)13-20-17(24)23-9-10-25-16(12-23)15-6-8-21-22(15)3/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyXNMLMSHATUINCV-INIZCTEOSA-N
MW343.43 g/mol
LogP1.88
Rot. Bonds4

About (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide

(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide (PubChem CID 164642327) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide
PubChem CID164642327
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide
SMILESCn1nccc1[C@@H]1CN(C(=O)NCC(C)(C)c2cccnc2)CCO1
InChIInChI=1S/C18H25N5O2/c1-18(2,14-5-4-7-19-11-14)13-20-17(24)23-9-10-25-16(12-23)15-6-8-21-22(15)3/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyXNMLMSHATUINCV-INIZCTEOSA-N
XLogP1.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[({1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl}oxy)methyl]pyridine
CID 50982705
3-[({1-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70711912
1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
CID 118747137
1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 118747252
1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018310
1,5-anhydro-2,4-dideoxy-2-{[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]amino}-3-O-(pyridin-2-ylmethyl)-D-threo-pentitol
CID 91783746
(2R)-2-(4-ethylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]morpholine-4-carboxamide
CID 99829614
3-(4-methylpyrazol-1-yl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 164635316
1-[(2R,3S)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]urea
CID 164636809
Tert-butyl 3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]methoxy]piperidine-1-carboxylate
CID 139300424
1-[3-[[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]methoxy]piperidin-1-yl]ethanone
CID 139319781
Methyl 3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]methoxy]piperidine-1-carboxylate
CID 139319789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide (CID 164642327) is (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide is Cn1nccc1[C@@H]1CN(C(=O)NCC(C)(C)c2cccnc2)CCO1.
What is the InChIKey of (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide?
The InChIKey is XNMLMSHATUINCV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,14-5-4-7-19-11-14)13-20-17(24)23-9-10-25-16(12-23)15-6-8-21-22(15)3/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide?
(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-3-ylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 164642327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).