N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide

C20H22FN7O — CID 54756015

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide
SMILESNCC1CCN(c2c(F)cccc2NC(=O)c2ncc(-c3cncnc3)[nH]2)CC1
InChIInChI=1S/C20H22FN7O/c21-15-2-1-3-16(18(15)28-6-4-13(8-22)5-7-28)27-20(29)19-25-11-17(26-19)14-9-23-12-24-10-14/h1-3,9-13H,4-8,22H2,(H,25,26)(H,27,29)
InChIKeyJIDITVLKGCPUCA-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.43
Rot. Bonds5

About N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide

N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide (PubChem CID 54756015) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide
PubChem CID54756015
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide
SMILESNCC1CCN(c2c(F)cccc2NC(=O)c2ncc(-c3cncnc3)[nH]2)CC1
InChIInChI=1S/C20H22FN7O/c21-15-2-1-3-16(18(15)28-6-4-13(8-22)5-7-28)27-20(29)19-25-11-17(26-19)14-9-23-12-24-10-14/h1-3,9-13H,4-8,22H2,(H,25,26)(H,27,29)
InChIKeyJIDITVLKGCPUCA-UHFFFAOYSA-N
XLogP2.43
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide (CID 54756015) is N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide is NCC1CCN(c2c(F)cccc2NC(=O)c2ncc(-c3cncnc3)[nH]2)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide?
The InChIKey is JIDITVLKGCPUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c21-15-2-1-3-16(18(15)28-6-4-13(8-22)5-7-28)27-20(29)19-25-11-17(26-19)14-9-23-12-24-10-14/h1-3,9-13H,4-8,22H2,(H,25,26)(H,27,29).
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 54756015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).