formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C16H21N5O4 — CID 154918769

IUPACformic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(NCCc2cnc[nH]2)nc1)N1CCOCC1.O=CO
InChIInChI=1S/C15H19N5O2.CH2O2/c21-15(20-5-7-22-8-6-20)12-1-2-14(18-9-12)17-4-3-13-10-16-11-19-13;2-1-3/h1-2,9-11H,3-8H2,(H,16,19)(H,17,18);1H,(H,2,3)
InChIKeyWPACHAHACMMVKA-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.63
Rot. Bonds5

About formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 154918769) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Nameformic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID154918769
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Nameformic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(NCCc2cnc[nH]2)nc1)N1CCOCC1.O=CO
InChIInChI=1S/C15H19N5O2.CH2O2/c21-15(20-5-7-22-8-6-20)12-1-2-14(18-9-12)17-4-3-13-10-16-11-19-13;2-1-3/h1-2,9-11H,3-8H2,(H,16,19)(H,17,18);1H,(H,2,3)
InChIKeyWPACHAHACMMVKA-UHFFFAOYSA-N
XLogP0.63
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[6-(2-pyrazol-1-ylethylamino)-3-pyridinyl]methanone
CID 134700155
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 135111126
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
[6-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134700458
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154014
morpholin-4-yl-[6-[[(1R)-1-phenylpropyl]amino]-3-pyridinyl]methanone
CID 135087529
4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109154990

Frequently Asked Questions

What is the IUPAC name of formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 154918769) is formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(NCCc2cnc[nH]2)nc1)N1CCOCC1.O=CO.
What is the InChIKey of formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is WPACHAHACMMVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.CH2O2/c21-15(20-5-7-22-8-6-20)12-1-2-14(18-9-12)17-4-3-13-10-16-11-19-13;2-1-3/h1-2,9-11H,3-8H2,(H,16,19)(H,17,18);1H,(H,2,3).
What are the key properties of formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 347.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154918769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).