N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C22H22FN5O2 — CID 122551123

IUPACN-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCc1cc(C(O)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(CF)cn3)c2)cn1
InChIInChI=1S/C22H22FN5O2/c1-13-8-17(21(29)15-3-4-15)18(12-25-13)27-22(30)16-6-7-24-20(9-16)28-19-5-2-14(10-23)11-26-19/h2,5-9,11-12,15,21,29H,3-4,10H2,1H3,(H,27,30)(H,24,26,28)
InChIKeyKWWZKKFBNHUXNS-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.09
Rot. Bonds7

About N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 122551123) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID122551123
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCc1cc(C(O)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(CF)cn3)c2)cn1
InChIInChI=1S/C22H22FN5O2/c1-13-8-17(21(29)15-3-4-15)18(12-25-13)27-22(30)16-6-7-24-20(9-16)28-19-5-2-14(10-23)11-26-19/h2,5-9,11-12,15,21,29H,3-4,10H2,1H3,(H,27,30)(H,24,26,28)
InChIKeyKWWZKKFBNHUXNS-UHFFFAOYSA-N
XLogP4.09
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 122551123) is N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is Cc1cc(C(O)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(CF)cn3)c2)cn1.
What is the InChIKey of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is KWWZKKFBNHUXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-13-8-17(21(29)15-3-4-15)18(12-25-13)27-22(30)16-6-7-24-20(9-16)28-19-5-2-14(10-23)11-26-19/h2,5-9,11-12,15,21,29H,3-4,10H2,1H3,(H,27,30)(H,24,26,28).
What are the key properties of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 122551123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).