N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide

C16H19N5O2 — CID 91771725

IUPACN-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cc(C2CC(O)C2)ncn1)c1cccnc1
InChIInChI=1S/C16H19N5O2/c22-13-6-12(7-13)14-8-15(21-10-20-14)18-4-5-19-16(23)11-2-1-3-17-9-11/h1-3,8-10,12-13,22H,4-7H2,(H,19,23)(H,18,20,21)
InChIKeyATMCAUFLUZKERT-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.95
Rot. Bonds6

About N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 91771725) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
PubChem CID91771725
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cc(C2CC(O)C2)ncn1)c1cccnc1
InChIInChI=1S/C16H19N5O2/c22-13-6-12(7-13)14-8-15(21-10-20-14)18-4-5-19-16(23)11-2-1-3-17-9-11/h1-3,8-10,12-13,22H,4-7H2,(H,19,23)(H,18,20,21)
InChIKeyATMCAUFLUZKERT-UHFFFAOYSA-N
XLogP0.95
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 60505668
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91767301
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
3-[6-[2-(1,3-benzoxazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91761814
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307300
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide (CID 91771725) is N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1cc(C2CC(O)C2)ncn1)c1cccnc1.
What is the InChIKey of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is ATMCAUFLUZKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-13-6-12(7-13)14-8-15(21-10-20-14)18-4-5-19-16(23)11-2-1-3-17-9-11/h1-3,8-10,12-13,22H,4-7H2,(H,19,23)(H,18,20,21).
What are the key properties of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 91771725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).