N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H29N5O2 — CID 96571971

IUPACN-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-15-17(16(2)24(3)23-15)7-8-20(26)22-14-19(18-6-4-5-9-21-18)25-10-12-27-13-11-25/h4-6,9,19H,7-8,10-14H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyUBEPIVKSOAMGOY-IBGZPJMESA-N
MW371.49 g/mol
LogP1.55
Rot. Bonds7

About N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 96571971) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID96571971
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-15-17(16(2)24(3)23-15)7-8-20(26)22-14-19(18-6-4-5-9-21-18)25-10-12-27-13-11-25/h4-6,9,19H,7-8,10-14H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyUBEPIVKSOAMGOY-IBGZPJMESA-N
XLogP1.55
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylpropanamide
CID 75424213
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N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
1-ethyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-morpholin-4-yl-2-pyridin-2-ylethyl)urea
CID 119060016
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
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2-morpholin-4-yl-2-pyridin-2-ylethanol
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 96571971) is N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1ccccn1)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is UBEPIVKSOAMGOY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-17(16(2)24(3)23-15)7-8-20(26)22-14-19(18-6-4-5-9-21-18)25-10-12-27-13-11-25/h4-6,9,19H,7-8,10-14H2,1-3H3,(H,22,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 371.49 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96571971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).