N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C18H24N4O3 — CID 154876474

IUPACN-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C18H24N4O3/c1-10-20-15(8-16(23)21-10)17(24)19-9-11-6-13-4-5-14(7-11)22(13)18(25)12-2-3-12/h8,11-14H,2-7,9H2,1H3,(H,19,24)(H,20,21,23)/t11?,13-,14+
InChIKeyFAPKOPBDPKTJPT-QXMXGUDHSA-N
MW344.42 g/mol
LogP0.99
Rot. Bonds4

About N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154876474) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154876474
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C18H24N4O3/c1-10-20-15(8-16(23)21-10)17(24)19-9-11-6-13-4-5-14(7-11)22(13)18(25)12-2-3-12/h8,11-14H,2-7,9H2,1H3,(H,19,24)(H,20,21,23)/t11?,13-,14+
InChIKeyFAPKOPBDPKTJPT-QXMXGUDHSA-N
XLogP0.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

CID 154876455
CID 154876455
CID 136548600
CID 136548600
CID 136927112
CID 136927112
CID 136927114
CID 136927114
CID 136974395
CID 136974395
CID 136995940
CID 136995940
CID 136995941
CID 136995941
CID 136995942
CID 136995942
CID 136995943
CID 136995943
CID 137073160
CID 137073160
CID 137073161
CID 137073161
CID 137978236
CID 137978236

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 154876474) is N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NCC2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC2)cc(=O)[nH]1.
What is the InChIKey of N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is FAPKOPBDPKTJPT-QXMXGUDHSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-10-20-15(8-16(23)21-10)17(24)19-9-11-6-13-4-5-14(7-11)22(13)18(25)12-2-3-12/h8,11-14H,2-7,9H2,1H3,(H,19,24)(H,20,21,23)/t11?,13-,14+.
What are the key properties of N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154876474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).