N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide

C16H22N6O2 — CID 122293459

IUPACN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2ccnc(OC)c2)nc(C)n1
InChIInChI=1S/C16H22N6O2/c1-4-17-13-10-14(22-11(2)21-13)18-7-8-20-16(23)12-5-6-19-15(9-12)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,23)(H2,17,18,21,22)
InChIKeyRGIALSFLKUUBAF-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.46
Rot. Bonds8

About N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide (PubChem CID 122293459) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
PubChem CID122293459
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2ccnc(OC)c2)nc(C)n1
InChIInChI=1S/C16H22N6O2/c1-4-17-13-10-14(22-11(2)21-13)18-7-8-20-16(23)12-5-6-19-15(9-12)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,23)(H2,17,18,21,22)
InChIKeyRGIALSFLKUUBAF-UHFFFAOYSA-N
XLogP1.46
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
2-methoxy-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122326966
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide
CID 122293394
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122327307
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
CID 122293470
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
CID 70702932
4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315371
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide (CID 122293459) is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide is CCNc1cc(NCCNC(=O)c2ccnc(OC)c2)nc(C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is RGIALSFLKUUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-17-13-10-14(22-11(2)21-13)18-7-8-20-16(23)12-5-6-19-15(9-12)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,23)(H2,17,18,21,22).
What are the key properties of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide?
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 122293459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).