2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide

C17H21N5O2 — CID 144979622

IUPAC2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide
SMILES[H]/N=c1\ccc(-c2cccnc2)cn1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N5O2/c18-16-4-3-15(14-2-1-5-19-12-14)13-22(16)17(23)20-6-7-21-8-10-24-11-9-21/h1-5,12-13,18H,6-11H2,(H,20,23)/b18-16+
InChIKeyYCYPXYFKOPWJJI-FBMGVBCBSA-N
MW327.39 g/mol
LogP0.92
Rot. Bonds4

About 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide

2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide (PubChem CID 144979622) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide.

Molecular Properties

Compound Name2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide
PubChem CID144979622
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide
SMILES[H]/N=c1\ccc(-c2cccnc2)cn1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N5O2/c18-16-4-3-15(14-2-1-5-19-12-14)13-22(16)17(23)20-6-7-21-8-10-24-11-9-21/h1-5,12-13,18H,6-11H2,(H,20,23)/b18-16+
InChIKeyYCYPXYFKOPWJJI-FBMGVBCBSA-N
XLogP0.92
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid
CID 174835132
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462641
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
2-methyl-1-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethyl)guanidine
CID 111023394
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 6625714
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide?
The IUPAC name of 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide (CID 144979622) is 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide.
What is the SMILES notation for 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide?
The canonical SMILES for 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide is [H]/N=c1\ccc(-c2cccnc2)cn1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide?
The InChIKey is YCYPXYFKOPWJJI-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-16-4-3-15(14-2-1-5-19-12-14)13-22(16)17(23)20-6-7-21-8-10-24-11-9-21/h1-5,12-13,18H,6-11H2,(H,20,23)/b18-16+.
What are the key properties of 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide?
2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide is sourced from PubChem (CID 144979622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).