3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide

C18H25N5O2 — CID 99948477

IUPAC3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide
SMILESCc1ccn(CCC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)n1
InChIInChI=1S/C18H25N5O2/c1-15-4-8-23(21-15)9-5-18(24)20-14-17(16-2-6-19-7-3-16)22-10-12-25-13-11-22/h2-4,6-8,17H,5,9-14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyYMPWHXIBCFDKAU-KRWDZBQOSA-N
MW343.43 g/mol
LogP1.17
Rot. Bonds7

About 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide

3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide (PubChem CID 99948477) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide
PubChem CID99948477
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide
SMILESCc1ccn(CCC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)n1
InChIInChI=1S/C18H25N5O2/c1-15-4-8-23(21-15)9-5-18(24)20-14-17(16-2-6-19-7-3-16)22-10-12-25-13-11-22/h2-4,6-8,17H,5,9-14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyYMPWHXIBCFDKAU-KRWDZBQOSA-N
XLogP1.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide (CID 99948477) is 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide is Cc1ccn(CCC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide?
The InChIKey is YMPWHXIBCFDKAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15-4-8-23(21-15)9-5-18(24)20-14-17(16-2-6-19-7-3-16)22-10-12-25-13-11-22/h2-4,6-8,17H,5,9-14H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide?
3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 99948477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).