3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

C23H27N5O2 — CID 126568659

IUPAC3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCn1cc(-c2ccncc2CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cn1
InChIInChI=1S/C23H27N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-3,5-6,8-9,14-15,17H,4,7,10-13,16H2,1H3,(H,26,29)
InChIKeyRTIFRQDVZMGONB-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds7

About 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 126568659) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID126568659
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCn1cc(-c2ccncc2CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cn1
InChIInChI=1S/C23H27N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-3,5-6,8-9,14-15,17H,4,7,10-13,16H2,1H3,(H,26,29)
InChIKeyRTIFRQDVZMGONB-UHFFFAOYSA-N
XLogP2.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide;hydrochloride
CID 45484302
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568496
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide
CID 10157758
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
Way-317538
CID 45484303
N-hydroxy-5-(1-(4-morpholinobenzyl)-1H-pyrazol-3-yl)pentanamide
CID 72195461
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
CID 125487493
(E)-3-[6-amino-4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568381
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)phenyl]prop-2-enamide
CID 126568428

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (CID 126568659) is 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is Cn1cc(-c2ccncc2CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cn1.
What is the InChIKey of 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is RTIFRQDVZMGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-3,5-6,8-9,14-15,17H,4,7,10-13,16H2,1H3,(H,26,29).
What are the key properties of 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 126568659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).