N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide

C18H25N5O2 — CID 129002342

IUPACN-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(Cc2nccc(N)n2)C2CCCNCC2)o1
InChIInChI=1S/C18H25N5O2/c1-2-14-5-6-15(25-14)18(24)23(13-4-3-9-20-10-7-13)12-17-21-11-8-16(19)22-17/h5-6,8,11,13,20H,2-4,7,9-10,12H2,1H3,(H2,19,21,22)
InChIKeyPWVVYXXFHBPWEX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.00
Rot. Bonds5

About N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide

N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide (PubChem CID 129002342) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide
PubChem CID129002342
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(Cc2nccc(N)n2)C2CCCNCC2)o1
InChIInChI=1S/C18H25N5O2/c1-2-14-5-6-15(25-14)18(24)23(13-4-3-9-20-10-7-13)12-17-21-11-8-16(19)22-17/h5-6,8,11,13,20H,2-4,7,9-10,12H2,1H3,(H2,19,21,22)
InChIKeyPWVVYXXFHBPWEX-UHFFFAOYSA-N
XLogP2.00
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-2-(4-methylphenoxy)acetamide
CID 167957010
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823656
5-methyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 60805408
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
5-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106610374
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 119530421

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide (CID 129002342) is N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)N(Cc2nccc(N)n2)C2CCCNCC2)o1.
What is the InChIKey of N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide?
The InChIKey is PWVVYXXFHBPWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-14-5-6-15(25-14)18(24)23(13-4-3-9-20-10-7-13)12-17-21-11-8-16(19)22-17/h5-6,8,11,13,20H,2-4,7,9-10,12H2,1H3,(H2,19,21,22).
What are the key properties of N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide?
N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-2-yl)methyl]-N-(azepan-4-yl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 129002342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).